N-(4-bromophenyl)-2-[[2-(4-methoxyphenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-4-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-bromophenyl)-2-[[2-(4-methoxyphenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-4-yl]sulfanyl]ethanamide Openeye Name: N-(4-bromophenyl)-2-[[2-(4-methoxyphenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-4-yl]sulfanyl]acetamide CAS Name: N-(4-bromophenyl)-2-[[2-(4-methoxyphenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-4-yl]thio]acetamide IUPAC Name: N-(4-bromophenyl)-2-[[2-(4-methoxyphenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-4-yl]sulfanyl]acetamide Traditional Name: N-(4-bromophenyl)-2-[[2-(4-methoxyphenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-4-yl]thio]acetamide Formula: C26H24BrN3O2S MolecularWeight: 522.45666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N=C(CC(=N2)C3=CC=C(C=C3)OC)SCC(=O)NC4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC2=C(C=C1C)N=C(CC(=N2)C3=CC=C(C=C3)OC)SCC(=O)NC4=CC=C(C=C4)Br

InChI

InChI=1S/C26H24BrN3O2S/c1-16-12-23-24(13-17(16)2)30-26(14-22(29-23)18-4-10-21(32-3)11-5-18)33-15-25(31)28-20-8-6-19(27)7-9-20/h4-13H,14-15H2,1-3H3,(H,28,31)